N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide

C24H20N2O3 — CID 3132203

IUPACN-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H20N2O3/c1-29-19-11-5-9-18(15-19)21(26-24(28)17-7-3-2-4-8-17)20-13-12-16-10-6-14-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyGTGIZKMPVSADPH-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.47
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide

N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide (PubChem CID 3132203) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide
PubChem CID3132203
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C24H20N2O3/c1-29-19-11-5-9-18(15-19)21(26-24(28)17-7-3-2-4-8-17)20-13-12-16-10-6-14-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyGTGIZKMPVSADPH-UHFFFAOYSA-N
XLogP4.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ML324
CID 44143209
(3-Benzylphenyl)(8-hydroxyquinolin-7-yl)methanone
CID 463001
N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]pentanamide
CID 3129245
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129250
N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide
CID 2876959
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
CID 2876872
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
CID 3129244
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-
CID 95307
4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
CID 219564
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]-3-methyl-butanamide
CID 2930224

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide (CID 3132203) is N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide is COc1cccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide?
The InChIKey is GTGIZKMPVSADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-19-11-5-9-18(15-19)21(26-24(28)17-7-3-2-4-8-17)20-13-12-16-10-6-14-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide?
N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 3132203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).